N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide

C20H23N3O — CID 17006780

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
SMILESCCCCn1c(CNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-3-4-13-23-18-12-8-7-11-17(18)22-19(23)14-21-20(24)16-10-6-5-9-15(16)2/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKeyCYVUWJULUMNQLG-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.07
Rot. Bonds6

About N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide

N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide (PubChem CID 17006780) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
PubChem CID17006780
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
SMILESCCCCn1c(CNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-3-4-13-23-18-12-8-7-11-17(18)22-19(23)14-21-20(24)16-10-6-5-9-15(16)2/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKeyCYVUWJULUMNQLG-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 17006783
2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
CID 17006948
N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006880
2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17006775
2-fluoro-N-[(1-hexadecylbenzimidazol-2-yl)methyl]benzamide
CID 17007744
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006888
N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029387
N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide
CID 17006351
ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17006923
2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979073
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006891

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide (CID 17006780) is N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide is CCCCn1c(CNC(=O)c2ccccc2C)nc2ccccc21.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide?
The InChIKey is CYVUWJULUMNQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-4-13-23-18-12-8-7-11-17(18)22-19(23)14-21-20(24)16-10-6-5-9-15(16)2/h5-12H,3-4,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide?
N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide has a molecular weight of 321.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 17006780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).